UCSF

ZINC20504807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 4.07 7.55 -45.8 4 3 1 57 478.002 4
Mid Mid (pH 6-8) 4.07 7.22 -8.19 3 3 0 55 476.994 4

Activity (Go SEA)

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