UCSF

ZINC35973981

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 18 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) 3.17 9.24 -7.94 0 2 0 34 238.286 5
Hi High (pH 8-9.5) 2.17 8.04 -41.97 0 2 -1 40 237.278 4

Activity (Go SEA)

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