UCSF

ZINC37081800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.99 7.24 -126.86 4 3 2 41 288.435 6
Mid Mid (pH 6-8) 2.99 6.87 -31.41 3 3 1 40 287.427 6
Mid Mid (pH 6-8) 2.99 6.09 -49.68 3 3 1 40 287.427 6

Activity (Go SEA)

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