UCSF

ZINC08981667

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 12 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) 1.42 4.04 -7.49 1 3 0 30 165.24 0
Mid Mid (pH 6-8) 1.42 4.16 -23.15 2 3 1 31 166.248 0

Activity (Go SEA)

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