UCSF

ZINC34983939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 Yes

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) 2.71 7.09 -98.37 4 7 2 86 446.588 7
Hi High (pH 8-9.5) 2.71 3.63 -8.75 2 7 0 80 444.572 7
Mid Mid (pH 6-8) 2.71 5.88 -45.68 3 7 1 81 445.58 7
Mid Mid (pH 6-8) 2.71 4.83 -46.53 3 7 1 85 445.58 7

Activity (Go SEA)

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