UCSF

ZINC08817940

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 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) 4.13 11.61 -71.97 1 6 0 74 456.97 9
Mid Mid (pH 6-8) 4.57 11.3 -42.37 2 6 1 71 457.978 8

Activity (Go SEA)

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