UCSF

ZINC36137306

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) 0.38 3.08 -52.12 1 6 -1 103 304.731 5
Lo Low (pH 4.5-6) 0.38 1.1 -15.6 2 6 0 101 305.739 5

Activity (Go SEA)

Rings

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