UCSF

ZINC42777002

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 3.47 7.92 -12.12 0 3 0 30 303.324 8
Mid Mid (pH 6-8) 3.47 9.63 -42.81 1 3 1 31 304.332 8

Activity (Go SEA)

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