UCSF

ZINC36873742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.53 5.88 -48.23 4 3 1 56 284.305 5
Hi High (pH 8-9.5) 1.53 5.6 -7.6 3 3 0 55 283.297 5
Lo Low (pH 4.5-6) 1.53 6.53 -125.99 5 3 2 58 285.313 5

Activity (Go SEA)

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