UCSF

ZINC31779203

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 21 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) 2.46 9.78 -14.52 1 4 0 47 277.327 4
Mid Mid (pH 6-8) 2.46 10.29 -44.84 2 4 1 48 278.335 4

Activity (Go SEA)

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