UCSF

ZINC13801062

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 29 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) 3.67 11.39 -17 1 6 0 67 392.503 8
Mid Mid (pH 6-8) 3.67 11.86 -31.36 2 6 1 68 393.511 8

Activity (Go SEA)

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