UCSF

ZINC31946048

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 1.06 2.24 -10.17 1 4 0 44 302.296 4
Lo Low (pH 4.5-6) 1.06 4.61 -46.21 2 4 1 45 303.304 4

Activity (Go SEA)

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