UCSF

ZINC36788821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 3.25 4.79 -39.16 3 2 1 31 229.432 8
Mid Mid (pH 6-8) 3.25 5.97 -27.73 3 2 1 30 229.432 8
Mid Mid (pH 6-8) 3.25 6.21 -108.21 4 2 2 32 230.44 8

Activity (Go SEA)

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