UCSF

ZINC37039613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.13 1.91 -93.46 5 5 2 64 272.437 7
Mid Mid (pH 6-8) 0.13 -0.32 -47.47 4 5 1 63 271.429 7
Lo Low (pH 4.5-6) 0.13 1.93 -117.27 5 5 2 64 272.437 7

Activity (Go SEA)

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