UCSF

ZINC27769344

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 22 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) -1.11 -0.1 -73.73 4 9 1 136 307.286 3
Hi High (pH 8-9.5) -0.21 -1.02 -53.83 3 9 0 139 306.278 3
Mid Mid (pH 6-8) -0.21 -1.12 -79.49 3 9 0 139 306.278 3

Activity (Go SEA)

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