UCSF

ZINC44115580

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 1.87 3.6 -3.08 1 3 0 33 235.327 4
Mid Mid (pH 6-8) 1.87 4.93 -31.8 2 3 1 34 236.335 4

Activity (Go SEA)

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