UCSF

ZINC12020737

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 30 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) 1.73 5.52 -59.06 2 8 1 97 432.522 7
Mid Mid (pH 6-8) 1.73 3.04 -23.24 1 8 0 96 431.514 7

Activity (Go SEA)

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