UCSF

ZINC36899164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.24 9.38 -41.03 3 4 1 48 263.34 3
Hi High (pH 8-9.5) 2.24 7.34 -8.56 2 4 0 47 262.332 3
Mid Mid (pH 6-8) 2.24 9.85 -91.19 4 4 2 50 264.348 3

Activity (Go SEA)

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