UCSF

ZINC08845310

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 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) 4.95 9.64 -13.03 2 7 0 88 449.551 9
Mid Mid (pH 6-8) 4.95 10.4 -52.87 1 7 -1 91 448.543 9

Activity (Go SEA)

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