UCSF

ZINC39964026

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 4.11 15.59 -16.57 1 6 0 67 428.467 6
Mid Mid (pH 6-8) 4.11 16.06 -40.95 2 6 1 68 429.475 6

Activity (Go SEA)

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