UCSF

ZINC38478083

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 1.13 8.01 -46.29 2 5 1 49 262.381 2
Hi High (pH 8-9.5) 1.13 6.73 -6.08 1 5 0 44 261.373 2
Lo Low (pH 4.5-6) 1.13 8.35 -87.67 3 5 2 50 263.389 2

Activity (Go SEA)

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