UCSF

ZINC42916017

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.14 7.9 -112.94 4 3 2 47 263.36 5
Hi High (pH 8-9.5) 2.14 6.94 -8.01 2 3 0 44 261.344 5
Mid Mid (pH 6-8) 2.14 7.3 -52.94 3 3 1 45 262.352 5

Activity (Go SEA)

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