UCSF

ZINC45628446

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.48 7.27 -42.71 3 3 1 54 236.335 7
Mid Mid (pH 6-8) 2.48 6.97 -4.25 2 3 0 52 235.327 7

Activity (Go SEA)

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