UCSF

ZINC39963954

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 29 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) 3.06 12.18 -15.5 1 7 0 76 392.459 7
Mid Mid (pH 6-8) 3.06 12.65 -33.29 2 7 1 78 393.467 7

Activity (Go SEA)

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