UCSF

ZINC03036665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 29 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) 4.38 7.61 -14.64 1 5 0 54 409.555 5
Mid Mid (pH 6-8) 4.38 9.87 -51.24 2 5 1 56 410.563 5

Activity (Go SEA)

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