UCSF

ZINC05053774

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 25 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) 3.10 5.59 -12.99 2 7 0 93 396.259 5
Hi High (pH 8-9.5) 3.10 6.35 -44.21 1 7 -1 96 395.251 5

Activity (Go SEA)

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