UCSF

ZINC36787249

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 2.11 8.53 -35.09 3 2 1 30 263.449 5
Mid Mid (pH 6-8) 2.11 8.85 -99.21 4 2 0 32 264.457 5

Activity (Go SEA)

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