UCSF

ZINC45944121

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 28 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) 2.00 4.55 -13.65 1 7 0 79 409.552 8
Mid Mid (pH 6-8) 2.00 5.85 -57.08 2 7 1 84 410.56 8

Activity (Go SEA)

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