UCSF

ZINC19899114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 17 No

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) 1.22 10.11 -6.13 0 1 0 4 263.431 3
Mid Mid (pH 6-8) 1.23 10.15 -27.95 0 1 1 4 264.439 4

Activity (Go SEA)

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