UCSF

ZINC42367501

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 19 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) 1.57 4.95 -41.21 2 4 1 38 267.393 9
Hi High (pH 8-9.5) 1.57 5.65 -40.29 2 4 1 35 267.393 9
Lo Low (pH 4.5-6) 1.57 7 -123.37 3 4 2 40 268.401 9

Activity (Go SEA)

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