UCSF

ZINC00194285

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 2.96 -1.64 -11.81 1 3 0 38 252.317 3
Mid Mid (pH 6-8) -0.45 -1.47 -28.67 2 3 1 39 253.325 3

Activity (Go SEA)

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