UCSF

ZINC37166508

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 4.55 9.75 -106.11 3 2 2 21 244.467 10
Hi High (pH 8-9.5) 4.55 7.86 -30.91 2 2 1 20 243.459 10
Mid Mid (pH 6-8) 4.55 9.44 -34.88 2 2 1 16 243.459 10

Activity (Go SEA)

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