UCSF

ZINC34580625

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 18 No

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) 2.13 6.68 -43.21 2 6 1 79 364.163 5
Hi High (pH 8-9.5) 2.13 4.2 -7.01 1 6 0 78 363.155 5

Activity (Go SEA)

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