UCSF

ZINC34504188

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 21 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) 5.98 11.93 -77.28 3 3 0 68 299.499 17
Lo Low (pH 4.5-6) 5.98 9.95 -44.6 4 3 1 65 300.507 17

Activity (Go SEA)

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