UCSF

ZINC41202210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 13 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) 2.20 4.19 -33.28 2 2 1 20 183.319 1
Mid Mid (pH 6-8) 2.20 6.01 -105.86 3 2 2 21 184.327 1
Mid Mid (pH 6-8) 2.20 4.81 -29.81 2 2 1 16 183.319 1

Activity (Go SEA)

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