UCSF

ZINC32102426

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 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) 1.24 2.58 -7.69 2 3 0 45 246.285 5
Lo Low (pH 4.5-6) 1.24 3.03 -39.04 3 3 1 46 247.293 5
Lo Low (pH 4.5-6) 1.24 4.09 -49.91 3 3 1 50 247.293 5

Activity (Go SEA)

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