UCSF

ZINC59906775

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 16 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) 2.64 6.61 -5.4 1 3 0 38 221.3 8
Mid Mid (pH 6-8) 2.64 7.96 -41.59 2 3 1 43 222.308 8

Activity (Go SEA)

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