UCSF

ZINC37205323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 30 No

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) 2.08 8.73 -47.67 3 8 1 88 410.498 6
Hi High (pH 8-9.5) 2.27 5.5 -53.04 1 8 -1 93 408.482 6
Mid Mid (pH 6-8) 2.08 6.68 -18.67 2 8 0 87 409.49 6

Activity (Go SEA)

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