UCSF

ZINC34950993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 2.86 8.75 -53.54 4 4 1 74 403.527 6
Mid Mid (pH 6-8) 2.86 8.4 -10.69 3 4 0 72 402.519 6

Activity (Go SEA)

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