UCSF

ZINC42915880

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 2.05 7.24 -58.5 3 3 1 45 256.304 3
Hi High (pH 8-9.5) 2.05 6.64 -10.01 2 3 0 44 255.296 3
Lo Low (pH 4.5-6) 2.05 7.72 -119.26 4 3 2 47 257.312 3

Activity (Go SEA)

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