UCSF

ZINC32937594

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 23 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) 4.69 6.97 -39.87 0 5 -1 75 373.237 5
Mid Mid (pH 6-8) 4.69 6.91 -8.07 1 5 0 72 374.245 5

Activity (Go SEA)

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