UCSF

ZINC37241033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 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) 2.02 4.34 -29.92 2 2 1 16 171.308 4
Hi High (pH 8-9.5) 2.02 2.2 -0.98 1 2 0 15 170.3 4
Lo Low (pH 4.5-6) 2.02 3.49 -35.67 2 2 1 20 171.308 4
Lo Low (pH 4.5-6) 2.02 5.64 -104.21 3 2 2 21 172.316 4

Activity (Go SEA)

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