UCSF

ZINC36360512

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 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) 1.78 6.08 -15.47 1 5 0 63 308.316 2
Ref Reference (pH 7) 1.60 8.73 -15.54 1 5 0 60 308.316 2
Mid Mid (pH 6-8) 1.60 9.19 -47.24 2 5 1 61 309.324 2
Lo Low (pH 4.5-6) 1.78 6.59 -39.6 2 5 1 65 309.324 2
Lo Low (pH 4.5-6) 1.60 9.24 -39.37 2 5 1 61 309.324 2

Activity (Go SEA)

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