UCSF

ZINC36722102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 21 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) 3.00 8.39 -55.53 2 5 1 72 291.302 6
Mid Mid (pH 6-8) 3.00 7.01 -8.56 1 5 0 67 290.294 6

Activity (Go SEA)

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