UCSF

ZINC36771401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 1.19 6.5 -120.48 3 3 2 34 221.348 4
Hi High (pH 8-9.5) 1.19 4.55 -36.45 2 3 1 33 220.34 4
Mid Mid (pH 6-8) 1.19 5.24 -38.87 2 3 1 29 220.34 4
Lo Low (pH 4.5-6) 1.19 5.01 -82.57 3 3 2 34 221.348 4

Activity (Go SEA)

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