UCSF

ZINC36357658

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 26 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) 3.47 5.17 -13.81 1 6 0 67 373.478 4
Ref Reference (pH 7) 3.28 7.61 -12.88 1 6 0 64 373.478 4

Activity (Go SEA)

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