UCSF

ZINC32048515

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) -1.49 0.44 -13.88 1 6 0 56 268.361 3
Mid Mid (pH 6-8) -1.49 1.82 -57.14 2 6 1 60 269.369 3
Lo Low (pH 4.5-6) -1.49 4.08 -113.01 3 6 2 62 270.377 3

Activity (Go SEA)

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