UCSF

ZINC02597561

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 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) -0.53 4.32 -34.89 3 3 0 68 255.142 3
Mid Mid (pH 6-8) -0.53 4.01 -41.58 2 3 -1 66 254.134 3

Activity (Go SEA)

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