UCSF

ZINC03548066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 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) 3.59 10.77 -43.89 2 6 1 64 376.55 10
Mid Mid (pH 6-8) 3.59 9 -11.19 1 6 0 63 375.542 10

Activity (Go SEA)

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