UCSF

ZINC12249713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2008 25 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 6.88 -36.87 0 7 -1 93 398.251 4
Mid Mid (pH 6-8) 3.35 -1.24 -55.94 2 7 1 91 400.267 4

Activity (Go SEA)

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