UCSF

ZINC36132905

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) 0.70 5.16 -62.43 1 5 -1 81 256.322 6
Lo Low (pH 4.5-6) 0.70 3.28 -10.89 2 5 0 78 257.33 6

Activity (Go SEA)

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