UCSF

ZINC20388108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 13 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) 2.48 4.56 -37.55 1 3 -1 49 190.251 1
Lo Low (pH 4.5-6) 2.48 4.51 -10.65 2 3 0 52 191.259 1

Activity (Go SEA)

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