UCSF

ZINC42863560

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 1.80 2.36 -38.34 3 3 1 44 242.412 6
Hi High (pH 8-9.5) 1.80 4.77 -29.31 3 3 1 43 242.412 6
Lo Low (pH 4.5-6) 1.80 4.23 -112.56 4 3 2 45 243.42 6

Activity (Go SEA)

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