UCSF

ZINC37081920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 2.63 4.72 -41.05 3 2 1 31 201.378 8
Hi High (pH 8-9.5) 2.63 4.61 -0.29 2 2 0 29 200.37 8
Mid Mid (pH 6-8) 2.63 5.43 -25.28 3 2 1 30 201.378 8
Mid Mid (pH 6-8) 2.63 5.81 -112.13 4 2 2 32 202.386 8

Activity (Go SEA)

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