UCSF

ZINC37140777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 1.72 7.33 -38.81 2 5 1 60 306.459 4
Hi High (pH 8-9.5) 1.72 6.23 -14.75 1 5 0 56 305.451 4

Activity (Go SEA)

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