UCSF

ZINC27529637

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 28 Yes

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) 2.67 7.14 -64.19 0 7 -1 82 389.472 7
Mid Mid (pH 6-8) 2.67 9.46 -81.4 1 7 0 83 390.48 7
Lo Low (pH 4.5-6) 2.67 8.34 -50.29 2 7 1 81 391.488 7

Activity (Go SEA)

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