UCSF

ZINC00411877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 16 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) 1.70 6.17 -43.05 2 4 1 46 240.352 3
Mid Mid (pH 6-8) 1.52 5.56 -36.14 1 4 0 53 239.344 3

Activity (Go SEA)

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