UCSF

ZINC39886220

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 23 No

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) 1.84 1.6 -15 3 7 0 119 349.393 3
Mid Mid (pH 6-8) 2.30 0.08 -46.95 2 7 -1 122 348.385 3

Activity (Go SEA)

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