UCSF

ZINC35680797

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 17 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) -1.95 2.3 -35.01 1 7 0 87 240.263 4
Mid Mid (pH 6-8) -1.95 2.41 -59 1 7 0 87 240.263 4
Mid Mid (pH 6-8) -1.95 0.12 -46.59 0 7 -1 86 239.255 4

Activity (Go SEA)

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