UCSF

ZINC34950112

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 2.03 7.65 -13.81 0 5 0 46 407.436 8
Mid Mid (pH 6-8) 2.03 9.91 -66.11 1 5 1 47 408.444 8
Lo Low (pH 4.5-6) 2.03 10.37 -110.86 2 5 2 48 409.452 8

Activity (Go SEA)

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