UCSF

ZINC09045283

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 21 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) 2.74 7.34 -22.41 1 5 0 64 305.403 7
Hi High (pH 8-9.5) 2.93 6.26 -46.52 0 5 -1 70 304.395 7

Activity (Go SEA)

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