UCSF

ZINC31959246

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 1.51 3.93 -61.23 4 6 1 92 307.399 7
Hi High (pH 8-9.5) 1.51 3.54 -19.69 3 6 0 90 306.391 7
Hi High (pH 8-9.5) 1.33 2.47 -43.13 2 6 -1 96 305.383 7
Mid Mid (pH 6-8) 1.33 2.85 -46.1 3 6 0 98 306.391 7

Activity (Go SEA)

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