UCSF

ZINC36639440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 No

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) 4.61 12.16 -22.92 1 7 0 97 397.456 7
Hi High (pH 8-9.5) 4.79 9.79 -52.26 0 7 -1 103 396.448 7

Activity (Go SEA)

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