UCSF

ZINC15076448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 27 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) 1.33 2.58 -10.23 2 6 0 67 371.481 10
Mid Mid (pH 6-8) 1.33 4.01 -52.24 3 6 1 71 372.489 10
Mid Mid (pH 6-8) 1.33 4.97 -47.4 3 6 1 68 372.489 10
Lo Low (pH 4.5-6) 1.33 6.47 -158.3 5 6 3 74 374.505 10

Activity (Go SEA)

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