UCSF

ZINC45665872

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.93 4.66 -107.46 4 3 2 35 231.428 9
Hi High (pH 8-9.5) 1.93 2.27 -39.61 3 3 1 34 230.42 9
Lo Low (pH 4.5-6) 1.93 6.37 -219.18 5 3 3 37 232.436 9

Activity (Go SEA)

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