UCSF

ZINC34959049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 0.72 0.45 -4.68 3 4 0 51 221.304 4
Mid Mid (pH 6-8) 0.72 2.72 -39.82 4 4 1 52 222.312 4

Activity (Go SEA)

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