UCSF

ZINC19637221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 1.88 6.32 -35.99 1 4 1 34 243.371 7
Hi High (pH 8-9.5) 1.88 6.41 -39.68 1 4 1 34 243.371 7
Mid Mid (pH 6-8) 1.88 4.06 -4.74 0 4 0 33 242.363 7

Activity (Go SEA)

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