UCSF

ZINC12417932

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 27 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) 2.28 6.24 -19.28 1 6 0 59 368.412 5
Mid Mid (pH 6-8) 2.28 6.67 -32.51 2 6 1 61 369.42 5

Activity (Go SEA)

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