UCSF

ZINC09358992

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 31 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) 4.11 9.28 -58.88 0 6 -1 79 442.919 9
Mid Mid (pH 6-8) 4.55 9.42 -12.03 1 6 0 76 443.927 8

Activity (Go SEA)

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