UCSF

ZINC37803744

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.65 4.4 -48.42 3 6 1 83 307.399 3
Hi High (pH 8-9.5) 1.11 0.42 -52.57 1 6 -1 81 305.383 3
Hi High (pH 8-9.5) 1.11 1.62 -62.18 2 6 0 86 306.391 3

Activity (Go SEA)

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