UCSF

ZINC02601628

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2004 19 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) 2.82 7.07 -45.94 1 3 -1 41 271.365 1
Hi High (pH 8-9.5) 3.31 6.55 -39.95 1 3 -1 47 271.365 1
Mid Mid (pH 6-8) 2.78 7.81 -14.34 2 3 0 41 272.373 1

Activity (Go SEA)

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