UCSF

ZINC09463029

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 2.66 8.95 -59.87 0 7 -1 92 434.399 5
Mid Mid (pH 6-8) 3.10 7.9 -25.98 1 7 0 89 435.407 4
Mid Mid (pH 6-8) 2.07 8.89 -18.88 0 7 0 86 435.407 5

Activity (Go SEA)

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