UCSF

ZINC36360374

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 1.88 0.12 -54.13 1 9 -1 125 372.368 2
Ref Reference (pH 7) 1.69 2.86 -49.38 1 9 -1 122 372.368 2
Lo Low (pH 4.5-6) 1.42 2 -14.7 2 9 0 122 373.376 2
Lo Low (pH 4.5-6) 1.24 4.68 -14.37 2 9 0 118 373.376 2

Activity (Go SEA)

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