UCSF

ZINC36771801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.44 4.68 -48.68 3 4 1 57 229.307 4
Hi High (pH 8-9.5) 0.44 4.28 -6.81 2 4 0 55 228.299 4
Mid Mid (pH 6-8) 0.44 4.7 -108.31 4 4 2 58 230.315 4
Lo Low (pH 4.5-6) 0.44 5.16 -170.75 5 4 3 59 231.323 4

Activity (Go SEA)

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