UCSF

ZINC37849078

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.12 2.26 -43.78 3 5 1 59 303.467 13
Mid Mid (pH 6-8) 1.12 3.25 -35.27 3 5 1 55 303.467 13
Lo Low (pH 4.5-6) 1.12 4.58 -112.41 4 5 2 60 304.475 13

Activity (Go SEA)

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