UCSF

ZINC37080854

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) -0.08 2.55 -44.01 3 3 1 44 192.286 4
Mid Mid (pH 6-8) -0.08 4.43 -25.85 3 3 1 43 192.286 4
Mid Mid (pH 6-8) -0.08 4.94 -109.1 4 3 2 45 193.294 4

Activity (Go SEA)

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