UCSF

ZINC36128152

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 2.53 4.32 -45.84 3 4 1 49 293.431 7
Mid Mid (pH 6-8) 2.53 6.16 -89.14 4 4 2 51 294.439 7

Activity (Go SEA)

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