UCSF

ZINC20309640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 18 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) 1.27 3.58 -38.09 3 4 1 49 256.414 8
Hi High (pH 8-9.5) 1.27 2.17 -5.8 2 4 0 44 255.406 8
Mid Mid (pH 6-8) 1.27 5.64 -108.1 4 4 2 50 257.422 8
Mid Mid (pH 6-8) 1.27 4.25 -33.62 3 4 1 46 256.414 8

Activity (Go SEA)

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