UCSF

ZINC00212882

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 3.04 3.3 -54.16 0 6 -1 87 288.308 3
Lo Low (pH 4.5-6) 3.04 3.38 -15.4 1 6 0 85 289.316 3

Activity (Go SEA)

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