UCSF

ZINC44171506

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) 3.01 5.71 -5.63 1 3 0 33 285.387 6
Mid Mid (pH 6-8) 3.01 8.05 -34.95 2 3 1 34 286.395 6

Activity (Go SEA)

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