UCSF

ZINC44115476

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 15 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) 1.95 3.25 -29.6 2 3 1 34 214.329 1
Mid Mid (pH 6-8) 1.95 1.31 -3.38 1 3 0 33 213.321 1

Activity (Go SEA)

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