UCSF

ZINC44685758

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.75 7.72 -74.97 3 3 2 21 253.434 4
Lo Low (pH 4.5-6) 1.75 8.75 -182.16 4 3 3 25 254.442 4
Lo Low (pH 4.5-6) 1.75 6.3 -95.66 3 3 2 24 253.434 4

Activity (Go SEA)

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