UCSF

ZINC13671910

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) 4.89 9.62 -20.67 2 7 0 102 452.532 8
Hi High (pH 8-9.5) 4.89 9.7 -49.68 1 7 -1 104 451.524 8

Activity (Go SEA)

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