UCSF

ZINC36999797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 4.60 9.1 -3.34 1 1 0 12 322.221 5
Mid Mid (pH 6-8) 4.60 10.3 -46.41 2 1 1 17 323.229 5

Activity (Go SEA)

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