UCSF

ZINC44870091

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 22 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) 0.40 -0.48 -14.07 2 6 0 84 333.36 5
Mid Mid (pH 6-8) 0.40 1.73 -52.99 3 6 1 85 334.368 5

Activity (Go SEA)

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