UCSF

ZINC69792985

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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 6.79 -1.5 2 2 0 29 204.317 1
Lo Low (pH 4.5-6) 3.04 6.8 -26.23 3 2 1 30 205.325 1

Activity (Go SEA)

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