UCSF

ZINC35632964

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 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) 2.10 4.75 -53.68 3 5 1 79 292.384 4
Mid Mid (pH 6-8) 1.92 4.29 -76.22 2 5 0 78 291.376 5

Activity (Go SEA)

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