UCSF

ZINC25538977

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 27 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) 1.73 8.04 -17.05 1 8 0 91 379.401 3
Hi High (pH 8-9.5) 1.80 7.12 -42.3 0 8 -1 97 378.393 3
Mid Mid (pH 6-8) 1.73 8.51 -49.62 2 8 1 92 380.409 3

Activity (Go SEA)

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