UCSF

ZINC05408823

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 29 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) 1.43 3.47 -60.23 1 8 -1 106 398.391 7
Mid Mid (pH 6-8) 1.87 -2.15 -20.07 2 8 0 103 399.399 6
Mid Mid (pH 6-8) 0.84 -1.55 -17.33 1 8 0 100 399.399 7

Activity (Go SEA)

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