UCSF

ZINC13549306

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 36 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) 3.89 10.06 -59.92 0 9 -1 118 507.544 9
Mid Mid (pH 6-8) 4.33 9.99 -22.98 1 9 0 115 508.552 8
Mid Mid (pH 6-8) 3.30 10.29 -14.73 0 9 0 112 508.552 9

Activity (Go SEA)

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