UCSF

ZINC36807782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) 0.19 8.09 -51.17 1 6 -1 91 279.316 8
Lo Low (pH 4.5-6) 0.19 8.37 -31.48 2 6 0 93 280.324 8

Activity (Go SEA)

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