UCSF

ZINC44518829

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) 2.07 6.97 -78.12 3 3 2 24 255.45 5
Hi High (pH 8-9.5) 2.07 7.8 -92.55 3 3 2 21 255.45 5
Lo Low (pH 4.5-6) 2.07 8.97 -173.14 4 3 3 25 256.458 5

Activity (Go SEA)

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