UCSF

ZINC37079102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.32 3.15 -43.43 3 4 1 49 183.279 3
Hi High (pH 8-9.5) 0.32 2.69 -5.2 2 4 0 47 182.271 3
Hi High (pH 8-9.5) 0.32 2.82 -24.05 3 4 1 48 183.279 3
Mid Mid (pH 6-8) 0.32 3.28 -94.43 4 4 2 50 184.287 3

Activity (Go SEA)

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