UCSF

ZINC32917293

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 16 No

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) -0.16 -0.94 -43.34 3 6 -1 107 242.28 4
Lo Low (pH 4.5-6) -0.16 -1.12 -43.6 4 6 0 108 243.288 4
Lo Low (pH 4.5-6) -0.16 -1.1 -12.23 4 6 0 105 243.288 4
Lo Low (pH 4.5-6) -0.16 -1.24 -12.36 4 6 0 105 243.288 4
Lo Low (pH 4.5-6) -0.16 -1.21 -48.44 4 6 0 108 243.288 4

Activity (Go SEA)

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