UCSF

ZINC36766093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 4.06 7.28 -5.43 3 3 0 55 306.207 2
Mid Mid (pH 6-8) 4.06 7.39 -30.02 4 3 1 56 307.215 2

Activity (Go SEA)

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