UCSF

ZINC00402474

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 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) 4.47 9.66 -41.9 0 3 -1 57 283.347 3
Mid Mid (pH 6-8) 3.35 0.19 -9.03 0 3 0 51 284.355 3

Activity (Go SEA)

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