UCSF

ZINC01636115

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 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) 0.81 6.22 -15.38 2 7 0 96 233.231 5
Lo Low (pH 4.5-6) 0.81 2.07 -34.26 3 7 1 97 234.239 5

Activity (Go SEA)

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