UCSF

ZINC45659222

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.10 0.74 -33.21 4 5 1 69 256.37 5
Lo Low (pH 4.5-6) 0.10 1.97 -108.06 5 5 2 73 257.378 5
Lo Low (pH 4.5-6) 0.10 -0.4 -42.6 4 5 1 72 256.37 5

Activity (Go SEA)

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