UCSF

ZINC10336303

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2007 27 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) 4.30 -0.17 -12.55 1 5 0 64 382.485 8
Mid Mid (pH 6-8) 4.30 0.08 -37.23 2 5 1 65 383.493 8

Activity (Go SEA)

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