UCSF

ZINC36780000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.18 10.38 -73.91 1 5 0 62 273.336 4
Hi High (pH 8-9.5) 2.18 8.83 -58.2 0 5 -1 61 272.328 4
Lo Low (pH 4.5-6) 2.18 10.88 -108.57 2 5 1 64 274.344 4

Activity (Go SEA)

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