UCSF

ZINC31897749

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 4.01 12.3 -48.75 1 4 1 39 336.525 8
Hi High (pH 8-9.5) 4.01 10.1 -10.76 0 4 0 38 335.517 8

Activity (Go SEA)

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