UCSF

ZINC34676401

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 3.45 10.29 -10.63 0 4 0 27 381.495 3
Mid Mid (pH 6-8) 3.45 12.44 -41.34 1 4 1 28 382.503 3

Activity (Go SEA)

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