UCSF

ZINC21687001

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 25 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) 1.95 6.74 -9.09 0 4 0 36 369.412 4
Mid Mid (pH 6-8) 1.95 8.99 -45.47 1 4 1 38 370.42 4

Activity (Go SEA)

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