UCSF

ZINC60707793

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 21 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) 3.62 9.65 -47.12 2 2 1 29 277.391 5
Hi High (pH 8-9.5) 3.62 8.28 -6.66 1 2 0 25 276.383 5
Lo Low (pH 4.5-6) 3.62 10.13 -104.55 3 2 2 31 278.399 5

Activity (Go SEA)

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