UCSF

ZINC48930941

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 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) 3.62 5.29 -12.04 2 4 0 59 289.306 5
Hi High (pH 8-9.5) 3.62 6.3 -53.81 1 4 -1 61 288.298 5

Activity (Go SEA)

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