UCSF

ZINC36338379

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 33 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) 4.97 12.05 -98.99 3 7 2 95 450.535 6
Hi High (pH 8-9.5) 4.70 11.44 -19.42 1 7 0 89 448.519 7

Activity (Go SEA)

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