UCSF

ZINC36746818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.15 4.88 -61.19 4 6 1 106 266.321 8
Hi High (pH 8-9.5) 1.15 3.66 -12.82 3 6 0 101 265.313 8

Activity (Go SEA)

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