UCSF

ZINC13582130

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 30 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) 1.82 7.08 -17.15 2 7 0 103 421.478 6
Hi High (pH 8-9.5) 2.73 4.93 -52.9 1 7 -1 106 420.47 6

Activity (Go SEA)

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