UCSF

ZINC36988011

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 1.84 2.96 -15.54 1 5 0 79 254.311 6
Hi High (pH 8-9.5) 1.84 3.02 -47.48 0 5 -1 81 253.303 6

Activity (Go SEA)

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