UCSF

ZINC08591178

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 30 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) 1.79 5.9 -16.38 2 8 0 106 428.514 3
Hi High (pH 8-9.5) 2.69 3.75 -53.83 1 8 -1 109 427.506 3
Mid Mid (pH 6-8) 1.79 5.72 -55.37 3 8 1 108 429.522 3

Activity (Go SEA)

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