UCSF

ZINC05728931

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 24 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) 3.00 7.16 -88.76 0 5 -2 93 353.174 6
Lo Low (pH 4.5-6) 1.36 8.11 -41.2 0 5 -1 87 354.182 7
Lo Low (pH 4.5-6) 0.61 9.15 -16.02 0 5 0 81 355.19 8
Lo Low (pH 4.5-6) 1.81 8.13 -39.64 0 5 -1 87 354.182 7

Activity (Go SEA)

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