UCSF

ZINC37094750

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.30 5.78 -130.29 4 4 2 51 300.83 6
Mid Mid (pH 6-8) 2.30 3.71 -49.02 3 4 1 49 299.822 6
Mid Mid (pH 6-8) 2.30 5.31 -32.55 3 4 1 49 299.822 6

Activity (Go SEA)

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