UCSF

ZINC01297627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 32 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) 4.71 12.68 -49.99 2 6 1 63 427.528 5
Mid Mid (pH 6-8) 4.71 10.45 -11.78 1 6 0 62 426.52 5
Lo Low (pH 4.5-6) 4.71 13.04 -39.99 3 6 0 64 428.536 5

Activity (Go SEA)

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