UCSF

ZINC45334544

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 39 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) 3.96 9.54 -60.81 5 9 1 121 531.633 11
Hi High (pH 8-9.5) 4.14 7.19 -42.15 4 9 0 128 530.625 11

Activity (Go SEA)

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