UCSF

ZINC70513810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.80 4.3 -74.64 4 4 2 45 299.503 7
Hi High (pH 8-9.5) 1.80 3.03 -32.98 3 4 1 40 298.495 7
Mid Mid (pH 6-8) 1.80 6.77 -179.36 5 4 3 46 300.511 7
Mid Mid (pH 6-8) 1.80 4.35 -91.05 4 4 2 45 299.503 7

Activity (Go SEA)

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