UCSF

ZINC31993195

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 1.06 3.32 -48.94 3 4 1 49 265.377 5
Mid Mid (pH 6-8) 1.06 5.6 -123.93 4 4 2 51 266.385 5
Mid Mid (pH 6-8) 1.06 5.28 -43.35 3 4 1 49 265.377 5

Activity (Go SEA)

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