UCSF

ZINC40953024

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 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) 0.13 5.05 -41.56 4 6 1 72 223.304 2
Mid Mid (pH 6-8) 0.13 5.42 -87.18 5 6 2 73 224.312 2
Mid Mid (pH 6-8) 0.13 2.69 -7.24 3 6 0 70 222.296 2

Activity (Go SEA)

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