UCSF

ZINC32507758

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 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) 4.06 5.84 -45.32 4 3 1 49 305.486 5
Hi High (pH 8-9.5) 4.06 5.92 -35.06 4 3 1 49 305.486 5
Mid Mid (pH 6-8) 4.06 6.88 -110.12 5 3 2 53 306.494 5

Activity (Go SEA)

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