UCSF

ZINC44721464

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 0.20 1.74 -36.51 3 5 1 55 242.343 7
Lo Low (pH 4.5-6) 0.20 2.92 -109.01 4 5 2 59 243.351 7
Lo Low (pH 4.5-6) 0.20 0.52 -41.15 3 5 1 58 242.343 7

Activity (Go SEA)

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