UCSF

ZINC08742568

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 22 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) 4.95 9.02 -16.02 1 4 0 55 394.681 3
Mid Mid (pH 6-8) 5.02 8.12 -40.05 0 4 -1 61 393.673 3

Activity (Go SEA)

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