UCSF

ZINC36769630

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 1.08 5.49 -43.68 3 3 1 40 263.405 5
Hi High (pH 8-9.5) 1.08 5.08 -2.84 2 3 0 38 262.397 5
Lo Low (pH 4.5-6) 1.08 7.28 -133.63 4 3 2 41 264.413 5

Activity (Go SEA)

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