UCSF

ZINC08984879

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 32 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) 6.60 12.34 -58.09 1 6 -1 95 443.504 6
Mid Mid (pH 6-8) 6.11 11.36 -109.23 0 6 -2 93 442.496 7

Activity (Go SEA)

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