UCSF

ZINC36354005

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 3.50 8.82 -27.97 2 5 1 58 370.432 2
Ref Reference (pH 7) 2.85 9.68 -13.17 1 5 0 53 369.424 2
Lo Low (pH 4.5-6) 3.51 8.64 -10.73 3 5 0 59 371.44 2

Activity (Go SEA)

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