UCSF

ZINC40321888

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 20 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) -0.18 -0.47 -15.99 4 7 0 94 279.344 4
Mid Mid (pH 6-8) -0.62 -1.67 -59.81 4 7 1 93 280.352 4
Mid Mid (pH 6-8) -0.18 1.67 -51.24 5 7 1 96 280.352 4
Lo Low (pH 4.5-6) -0.62 0.47 -103.49 5 7 2 94 281.36 4

Activity (Go SEA)

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