UCSF

ZINC20917955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 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) 4.42 9.69 -42.4 3 5 1 62 350.49 4
Hi High (pH 8-9.5) 4.42 7.42 -10.7 2 5 0 61 349.482 4

Activity (Go SEA)

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