UCSF

ZINC36873779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.22 4.75 -55.59 4 4 1 66 282.314 6
Hi High (pH 8-9.5) 1.22 4.48 -11.26 3 4 0 64 281.306 6
Lo Low (pH 4.5-6) 1.22 5.13 -124.15 5 4 2 67 283.322 6

Activity (Go SEA)

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