UCSF

ZINC41652864

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.48 0.72 -14.01 2 6 0 79 311.407 4
Mid Mid (pH 6-8) 0.48 2.01 -57.15 3 6 1 83 312.415 4

Activity (Go SEA)

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