UCSF

ZINC61642077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 21 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) 1.05 4.58 -43.19 3 5 1 54 356.288 4
Hi High (pH 8-9.5) 1.05 2.1 -7.33 2 5 0 53 355.28 4

Activity (Go SEA)

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