UCSF

ZINC35636658

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 33 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) 2.43 12.01 -53.95 2 10 1 122 473.587 17
Hi High (pH 8-9.5) 2.43 9.14 -16.88 1 10 0 120 472.579 17
Mid Mid (pH 6-8) 2.43 13.04 -132.86 3 10 2 126 474.595 17

Activity (Go SEA)

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