UCSF

ZINC05695236

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 27 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) 4.42 6.17 -43.57 1 6 -1 83 383.449 6
Hi High (pH 8-9.5) 5.37 4.95 -47.57 1 6 -1 87 383.449 5
Hi High (pH 8-9.5) 5.37 4.26 -48.53 1 6 -1 87 383.449 5
Mid Mid (pH 6-8) 4.42 6.7 -17.29 2 6 0 81 384.457 6

Activity (Go SEA)

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