UCSF

ZINC00343784

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 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) 1.29 -1.55 -7.14 2 3 0 49 126.159 1
Mid Mid (pH 6-8) 1.29 0.83 -48.51 1 3 -1 52 125.151 1

Activity (Go SEA)

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