UCSF

ZINC09357441

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 23 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) 4.15 7.71 -18.12 1 5 0 64 345.811 4
Mid Mid (pH 6-8) 4.22 6.8 -48.42 0 5 -1 70 344.803 4

Activity (Go SEA)

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