UCSF

ZINC13549701

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.53 7.19 -8.71 2 4 0 65 488.588 2
Ref Reference (pH 7) 6.04 6.67 -38.67 1 4 -1 64 487.58 3
Hi High (pH 8-9.5) 6.98 5.64 -97.44 0 4 -2 71 486.572 2
Hi High (pH 8-9.5) 6.98 5.94 -95.04 0 4 -2 71 486.572 2
Mid Mid (pH 6-8) 6.04 7.44 -89.16 0 4 -2 67 486.572 3
Mid Mid (pH 6-8) 6.53 7.67 -33.61 1 4 -1 68 487.58 2
Mid Mid (pH 6-8) 6.53 7.97 -33.23 1 4 -1 68 487.58 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )