UCSF

ZINC34962019

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 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) 4.56 8.28 -58.49 1 3 -1 60 315.433 6
Lo Low (pH 4.5-6) 4.56 7.71 -8.5 2 3 0 58 316.441 6

Activity (Go SEA)

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