UCSF

ZINC36158978

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 1.70 5.68 -52.05 3 6 1 80 366.507 8
Hi High (pH 8-9.5) 2.16 2.91 -49.93 2 6 0 83 365.499 8
Hi High (pH 8-9.5) 1.70 3.81 -15.57 2 6 0 78 365.499 8

Activity (Go SEA)

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