UCSF

ZINC24750301

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 28 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) 0.65 4.39 -53.43 3 8 1 88 382.444 4
Hi High (pH 8-9.5) 0.65 1.92 -16.76 2 8 0 87 381.436 4
Mid Mid (pH 6-8) 0.65 2.2 -50.71 3 8 1 88 382.444 4

Activity (Go SEA)

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