UCSF

ZINC36771111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.05 4.84 -47.82 3 4 1 53 286.399 7
Hi High (pH 8-9.5) 0.05 4.4 -5.82 2 4 0 51 285.391 7
Lo Low (pH 4.5-6) 0.05 6.78 -140 4 4 2 54 287.407 7

Activity (Go SEA)

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