UCSF

ZINC09380682

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 33 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) 5.20 10.63 -56.7 0 6 -1 79 491.391 9
Mid Mid (pH 6-8) 5.65 9.51 -31.56 1 6 0 76 492.399 8
Mid Mid (pH 6-8) 4.62 -0.02 -27.98 0 6 0 72 492.399 9

Activity (Go SEA)

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