UCSF

ZINC08845834

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 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) 3.64 7.41 -15.88 2 7 0 88 407.47 7
Mid Mid (pH 6-8) 3.64 8.18 -55.52 1 7 -1 91 406.462 7

Activity (Go SEA)

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