UCSF

ZINC44260208

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 1.24 -0.61 -11.57 3 7 0 104 311.294 3
Mid Mid (pH 6-8) 1.24 -0.6 -40.41 2 7 -1 106 310.286 3

Activity (Go SEA)

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