UCSF

ZINC13517390

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 1.20 -1.73 -11.19 4 6 0 107 288.255 1
Hi High (pH 8-9.5) 1.20 -0.74 -50.42 3 6 -1 110 287.247 1

Activity (Go SEA)

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