UCSF

ZINC00319861

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.84 11.1 -24.04 2 4 1 44 296.394 3
Mid Mid (pH 6-8) 3.84 10.57 -11.53 1 4 0 42 295.386 3
Lo Low (pH 4.5-6) 3.84 10.63 -86.32 3 4 2 48 297.402 3

Activity (Go SEA)

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