UCSF

ZINC37049363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.04 1.71 -93.89 4 5 2 48 286.464 8
Hi High (pH 8-9.5) -0.04 -0.56 -43.21 3 5 1 47 285.456 8
Mid Mid (pH 6-8) -0.04 3.99 -157.14 5 5 3 49 287.472 8

Activity (Go SEA)

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