UCSF

ZINC23247933

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 26 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) 3.60 11.16 -43.86 2 4 1 34 349.502 8
Hi High (pH 8-9.5) 3.60 8.64 -8.09 1 4 0 33 348.494 8
Mid Mid (pH 6-8) 3.60 10.05 -45.87 2 4 1 38 349.502 8

Activity (Go SEA)

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