UCSF

ZINC49012701

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 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) 2.29 7.25 -72.14 1 5 0 63 267.325 9
Mid Mid (pH 6-8) 2.29 5.07 -49.35 0 5 -1 62 266.317 9

Activity (Go SEA)

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