UCSF

ZINC37081917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.06 3.21 -26.04 3 3 1 34 240.415 4
Hi High (pH 8-9.5) 1.06 2.89 -31.63 3 3 1 34 240.415 4
Mid Mid (pH 6-8) 1.06 5.18 -88.33 4 3 2 35 241.423 4
Mid Mid (pH 6-8) 1.06 3.57 -99.53 4 3 2 35 241.423 4

Activity (Go SEA)

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