UCSF

ZINC36876313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.51 5.38 -50.03 4 3 1 56 216.308 3
Lo Low (pH 4.5-6) 1.51 5.4 -109.21 5 3 2 58 217.316 3
Lo Low (pH 4.5-6) 1.51 5.4 -109.28 5 3 2 58 217.316 3

Activity (Go SEA)

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