UCSF

ZINC49754427

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 14 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) 1.13 3.73 -33.76 2 4 1 51 204.29 7
Mid Mid (pH 6-8) 1.13 1.82 -6.31 1 4 0 50 203.282 7

Activity (Go SEA)

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