UCSF

ZINC34537270

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 3.72 7.33 -1.97 2 1 0 26 203.329 2
Lo Low (pH 4.5-6) 3.72 7.19 -41.25 3 1 1 28 204.337 2

Activity (Go SEA)

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