UCSF

ZINC22158430

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 1.50 1.75 -53.17 2 6 -1 102 283.26 4
Hi High (pH 8-9.5) 1.50 1.82 -100.2 1 6 -2 104 282.252 4

Activity (Go SEA)

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