UCSF

ZINC37033974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.07 -1.01 -54.56 5 6 1 103 272.35 4
Hi High (pH 8-9.5) -0.07 -1.26 -45.42 3 6 -1 103 270.334 4
Hi High (pH 8-9.5) -0.07 -0.93 -71.84 4 6 0 105 271.342 4

Activity (Go SEA)

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