UCSF

ZINC34492711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 0.80 5.01 -36.49 1 3 1 21 208.329 6
Lo Low (pH 4.5-6) 0.80 7.36 -103.19 2 3 2 22 209.337 6

Activity (Go SEA)

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