UCSF

ZINC06145965

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 28 No

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) 4.22 9.12 -14.91 0 5 0 76 392.48 4
Mid Mid (pH 6-8) 4.22 9.5 -35.71 1 5 1 78 393.488 4

Activity (Go SEA)

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