UCSF

ZINC36330978

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 1.22 4.38 -76.13 2 6 1 97 285.345 4
Hi High (pH 8-9.5) 1.22 3.18 -19.07 1 6 0 92 284.337 4

Activity (Go SEA)

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