UCSF

ZINC09354779

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 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) 5.55 8.31 -16.75 1 6 0 81 437.546 4
Mid Mid (pH 6-8) 5.55 8.04 -60.63 0 6 -1 83 436.538 4
Mid Mid (pH 6-8) 5.55 9.13 -63.35 0 6 -1 83 436.538 4

Activity (Go SEA)

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