UCSF

ZINC37267990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -0.03 4.91 -48.93 2 6 1 76 269.321 6
Hi High (pH 8-9.5) -0.03 3.66 -13.15 1 6 0 72 268.313 6

Activity (Go SEA)

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