UCSF

ZINC49474576

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 12 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) 0.31 6.72 -97.67 3 3 2 36 189.69 6
Hi High (pH 8-9.5) 0.31 4.86 -7.36 1 3 0 30 187.674 6
Mid Mid (pH 6-8) 0.31 6.2 -52.21 2 3 1 34 188.682 6

Activity (Go SEA)

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