UCSF

ZINC70312451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 21 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) 1.17 5.04 -49.26 2 7 -1 102 290.299 4
Lo Low (pH 4.5-6) 1.17 3.06 -13.54 3 7 0 99 291.307 4

Activity (Go SEA)

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