UCSF

ZINC51518362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 19 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) 2.06 7.8 -36.44 2 4 1 46 260.361 7
Hi High (pH 8-9.5) 2.06 6.79 -5.31 1 4 0 41 259.353 7
Mid Mid (pH 6-8) 2.06 8.28 -87.95 3 4 2 47 261.369 7

Activity (Go SEA)

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