UCSF

ZINC19939275

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

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 4.22 -22.22 3 8 0 98 394.479 7
Mid Mid (pH 6-8) 1.84 4.6 -33.79 4 8 1 100 395.487 7
Lo Low (pH 4.5-6) 1.84 6.93 -95.24 5 8 2 101 396.495 7

Activity (Go SEA)

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