UCSF

ZINC36796703

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 5.55 -48.55 3 4 1 57 255.345 3
Hi High (pH 8-9.5) 1.08 5.14 -8.38 2 4 0 55 254.337 3
Mid Mid (pH 6-8) 1.08 5.96 -103.87 4 4 2 58 256.353 3
Lo Low (pH 4.5-6) 1.08 6.41 -170.08 5 4 3 59 257.361 3

Activity (Go SEA)

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