UCSF

ZINC44114239

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 1.68 3.24 -31.86 2 3 1 28 215.361 5
Hi High (pH 8-9.5) 1.68 0.96 -2.42 1 3 0 27 214.353 5
Lo Low (pH 4.5-6) 1.68 3.24 -30.83 2 3 1 28 215.361 5

Activity (Go SEA)

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