UCSF

ZINC22919414

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 34 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) 4.88 12.56 -50.93 2 7 1 64 462.618 9
Hi High (pH 8-9.5) 4.88 10.29 -15.17 1 7 0 63 461.61 9
Mid Mid (pH 6-8) 4.88 12.56 -46.13 2 7 1 64 462.618 9

Activity (Go SEA)

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