UCSF

ZINC39848142

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.79 6 -67.05 0 8 -1 95 425.461 8
Mid Mid (pH 6-8) 1.79 8.28 -79.49 1 8 0 96 426.469 8
Lo Low (pH 4.5-6) 1.79 7.53 -51.43 2 8 1 94 427.477 8

Activity (Go SEA)

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