UCSF

ZINC44685023

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.82 4.01 -34.04 2 2 1 20 183.319 4
Hi High (pH 8-9.5) 1.82 3.22 -0.62 1 2 0 15 182.311 4
Mid Mid (pH 6-8) 1.82 5.63 -29.24 2 2 1 16 183.319 4
Mid Mid (pH 6-8) 1.82 6.43 -101.03 3 2 2 21 184.327 4

Activity (Go SEA)

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