UCSF

ZINC36996493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.82 6.41 -34.52 2 2 1 20 237.411 2
Lo Low (pH 4.5-6) 2.82 8.66 -107.81 3 2 2 21 238.419 2

Activity (Go SEA)

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