UCSF

ZINC00411922

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 3.48 -1.12 -13.73 2 5 0 58 311.385 4
Mid Mid (pH 6-8) -0.26 -0.94 -28.39 3 5 1 61 312.393 4

Activity (Go SEA)

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