UCSF

ZINC58482426

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2011 28 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) 2.97 2.92 -48.21 5 5 1 76 374.464 0
Hi High (pH 8-9.5) 2.97 2.6 -8.43 4 5 0 75 373.456 0
Lo Low (pH 4.5-6) 2.97 4.73 -51.97 5 5 1 76 374.464 0

Activity (Go SEA)

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