UCSF

ZINC36156775

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 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) 2.55 7.75 -54.71 3 7 1 89 438.614 12
Hi High (pH 8-9.5) 2.55 5.47 -14.92 2 7 0 88 437.606 12
Hi High (pH 8-9.5) 3.00 5.04 -48.14 2 7 0 92 437.606 12

Activity (Go SEA)

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