UCSF

ZINC34884503

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 26 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) 2.35 7.68 -11.19 2 7 0 93 356.426 8
Lo Low (pH 4.5-6) 2.35 8.08 -31.9 3 7 1 94 357.434 8

Activity (Go SEA)

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