UCSF

ZINC32517873

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 22 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) 2.81 5.08 -37.4 1 4 1 20 312.522 6
Hi High (pH 8-9.5) 2.81 4.88 -32.84 1 4 1 20 312.522 6
Hi High (pH 8-9.5) 2.81 2.71 -2.1 0 4 0 19 311.514 6
Lo Low (pH 4.5-6) 2.81 6.83 -86.6 2 4 2 21 313.53 6

Activity (Go SEA)

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