UCSF

ZINC12250914

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2008 27 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) 4.70 -3.81 -11.52 3 5 0 77 381.501 4
Lo Low (pH 4.5-6) 4.70 -3.69 -35.38 4 5 1 78 382.509 4

Activity (Go SEA)

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