UCSF

ZINC24243325

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 22 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) 2.20 7.16 -35.62 2 4 1 37 367.311 5
Hi High (pH 8-9.5) 2.20 5 -9.3 1 4 0 36 366.303 5
Mid Mid (pH 6-8) 2.20 6.91 -34.2 2 4 1 37 367.311 5

Activity (Go SEA)

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