UCSF

ZINC20260303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.95 9.34 -114.84 4 2 2 32 282.431 4
Hi High (pH 8-9.5) 1.95 7.03 -2.41 2 2 0 29 280.415 4
Hi High (pH 8-9.5) 1.95 7.35 -42.39 3 2 1 31 281.423 4
Mid Mid (pH 6-8) 1.95 9.02 -30.22 3 2 1 30 281.423 4

Activity (Go SEA)

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