UCSF

ZINC33816971

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 16 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) 1.78 4.64 -43.97 2 4 0 66 214.224 2
Mid Mid (pH 6-8) 1.78 3.13 -13.91 2 4 0 62 214.224 2
Mid Mid (pH 6-8) 1.78 4.15 -51.48 1 4 -1 65 213.216 2
Lo Low (pH 4.5-6) 1.78 3.7 -42.67 3 4 1 63 215.232 2

Activity (Go SEA)

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