UCSF

ZINC45665487

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 0.91 4.31 -101.51 4 3 2 35 215.385 8
Hi High (pH 8-9.5) 0.91 1.83 -42.41 3 3 1 34 214.377 8
Lo Low (pH 4.5-6) 0.91 5.87 -223.15 5 3 3 37 216.393 8

Activity (Go SEA)

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