UCSF

ZINC22578847

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 3.82 10.18 -39.4 1 2 1 8 303.857 7
Hi High (pH 8-9.5) 3.82 7.89 -3.26 0 2 0 6 302.849 7
Mid Mid (pH 6-8) 3.82 10.48 -38.42 1 2 1 8 303.857 7

Activity (Go SEA)

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