UCSF

ZINC35348465

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 21 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) 1.03 2.27 -48.88 3 5 1 66 312.459 7
Lo Low (pH 4.5-6) 1.03 4.54 -130.33 4 5 2 67 313.467 7
Lo Low (pH 4.5-6) 1.03 3.2 -47.33 3 5 1 63 312.459 7

Activity (Go SEA)

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