UCSF

ZINC36627553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 23 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) 2.44 6.97 -11 0 6 0 69 382.21 5
Mid Mid (pH 6-8) 2.44 9.24 -36.09 1 6 1 70 383.218 5

Activity (Go SEA)

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