UCSF

ZINC34531120

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 4.50 11.84 -3.69 0 3 0 16 312.457 10
Lo Low (pH 4.5-6) 4.50 11.85 -14.79 1 3 0 17 313.465 10

Activity (Go SEA)

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