UCSF

ZINC34691421

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 0.85 4.04 -18.62 1 7 0 71 410.486 12
Mid Mid (pH 6-8) 0.85 6.35 -53.51 2 7 1 73 411.494 12

Activity (Go SEA)

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