UCSF

ZINC08743279

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 26 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) 3.24 5.21 -24.24 1 8 0 92 369.358 3
Hi High (pH 8-9.5) 3.31 4.3 -46.73 0 8 -1 98 368.35 3

Activity (Go SEA)

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