UCSF

ZINC34976070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.48 1.93 -8.76 2 5 0 71 232.239 1
Lo Low (pH 4.5-6) 1.48 1.85 -31.47 3 5 1 72 233.247 1

Activity (Go SEA)

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