UCSF

ZINC37084157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.41 4.13 -116.44 4 3 2 35 253.434 3
Hi High (pH 8-9.5) 1.41 6.59 -29.37 3 3 1 34 252.426 3
Hi High (pH 8-9.5) 1.41 6.59 -100.04 4 3 2 35 253.434 3
Mid Mid (pH 6-8) 1.41 4.26 -46.07 3 3 1 34 252.426 3
Lo Low (pH 4.5-6) 1.41 6.51 -206.29 5 3 3 37 254.442 3

Activity (Go SEA)

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