UCSF

ZINC37302198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.00 7.06 -35.75 2 4 1 34 285.843 6
Mid Mid (pH 6-8) 2.00 8.43 -112.07 3 4 2 39 286.851 6
Mid Mid (pH 6-8) 2.00 7.53 -78.53 3 4 2 36 286.851 6
Lo Low (pH 4.5-6) 2.00 8.88 -198.88 4 4 3 40 287.859 6

Activity (Go SEA)

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