UCSF

ZINC44685763

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 7.8 -77.13 3 3 2 21 253.434 4
Lo Low (pH 4.5-6) 1.75 6.43 -96.49 3 3 2 24 253.434 4
Lo Low (pH 4.5-6) 1.75 8.84 -179.07 4 3 3 25 254.442 4

Activity (Go SEA)

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