UCSF

ZINC30954353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 18 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) 0.07 3.36 -59.33 1 6 -1 90 255.294 7
Lo Low (pH 4.5-6) 0.07 2.24 -21.95 2 6 0 87 256.302 7

Activity (Go SEA)

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