UCSF

ZINC42705180

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 1.12 5.96 -45.64 1 4 0 48 216.325 8
Mid Mid (pH 6-8) 1.12 6.07 -59.7 1 4 0 48 216.325 8
Mid Mid (pH 6-8) 1.12 8.13 -102.67 2 4 1 49 217.333 8

Activity (Go SEA)

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