UCSF

ZINC34678573

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 1.85 8.97 -52.1 3 9 1 101 481.621 8
Hi High (pH 8-9.5) 2.04 6.57 -42 2 9 0 107 480.613 8

Activity (Go SEA)

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