UCSF

ZINC37110717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 3.51 10.09 -30.24 1 4 0 58 258.321 4
Hi High (pH 8-9.5) 3.51 9.73 -59.11 0 4 -1 56 257.313 4

Activity (Go SEA)

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