UCSF

ZINC44679494

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) 0.93 4.86 -84.69 4 3 2 33 213.369 7
Hi High (pH 8-9.5) 0.93 2.52 -37.49 3 3 1 32 212.361 7

Activity (Go SEA)

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