UCSF

ZINC40087770

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 22 No

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) 3.38 9.22 -43.57 2 6 1 79 308.402 9
Mid Mid (pH 6-8) 3.38 7.59 -15.54 1 6 0 78 307.394 9

Activity (Go SEA)

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