UCSF

ZINC19912944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 2.93 7.32 -32.6 2 2 1 16 253.435 6
Mid Mid (pH 6-8) 2.93 8.74 -105.92 3 2 2 21 254.443 6

Activity (Go SEA)

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