UCSF

ZINC40175212

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 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) 3.16 8.34 -91.83 3 3 2 34 257.381 1
Hi High (pH 8-9.5) 3.16 8.09 -46.14 2 3 1 33 256.373 1
Hi High (pH 8-9.5) 3.16 7.03 -21.95 2 3 1 29 256.373 1
Hi High (pH 8-9.5) 3.16 6.81 -7.58 1 3 0 28 255.365 1

Activity (Go SEA)

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