UCSF

ZINC70258991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2011 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) 2.79 8.68 -43.42 2 4 1 57 286.399 3
Hi High (pH 8-9.5) 2.98 7.01 -26.67 1 4 0 64 285.391 3
Hi High (pH 8-9.5) 2.98 5.2 -37.41 0 4 -1 62 284.383 3

Activity (Go SEA)

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