UCSF

ZINC00024320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 26 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) 2.54 10.74 -69.35 0 5 -1 75 347.394 3
Lo Low (pH 4.5-6) 2.54 10.98 -96.23 1 5 0 76 348.402 3

Activity (Go SEA)

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