UCSF

ZINC43447874

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 4.01 10.41 -35.12 1 3 1 31 256.41 8
Mid Mid (pH 6-8) 4.01 8.2 -4.03 0 3 0 30 255.402 8

Activity (Go SEA)

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