UCSF

ZINC34681584

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 5.43 14.36 -44.84 2 5 1 50 429.588 6
Mid Mid (pH 6-8) 5.43 12.14 -10.4 1 5 0 48 428.58 6

Activity (Go SEA)

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