UCSF

ZINC13990109

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 27 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) 4.45 12.97 -46.2 1 3 1 27 361.509 9
Lo Low (pH 4.5-6) 4.45 13.25 -111.99 2 3 2 28 362.517 9

Activity (Go SEA)

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