UCSF

ZINC22772359

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 3.04 6.64 -61.42 2 5 1 54 336.795 6
Hi High (pH 8-9.5) 3.04 5.22 -10.98 1 5 0 49 335.787 6

Activity (Go SEA)

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