UCSF

ZINC37299630

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.26 4.51 -45.64 3 3 1 44 256.373 6
Hi High (pH 8-9.5) 1.26 6.17 -35.12 3 3 1 43 256.373 6
Mid Mid (pH 6-8) 1.26 4.91 -82.16 4 3 2 45 257.381 6

Activity (Go SEA)

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