UCSF

ZINC13636580

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 31 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) 3.73 11.53 -97.45 3 5 2 51 421.585 9
Hi High (pH 8-9.5) 3.73 9.27 -43.8 2 5 1 50 420.577 9

Activity (Go SEA)

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