UCSF

ZINC34689367

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 15 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) 1.27 4.43 -40.6 3 3 1 48 213.345 2
Hi High (pH 8-9.5) 1.27 4.11 -7.07 2 3 0 46 212.337 2

Activity (Go SEA)

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