UCSF

ZINC38827615

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 17 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) 2.04 6.88 -125.96 4 2 2 32 238.35 3
Hi High (pH 8-9.5) 2.04 7.16 -33.13 3 2 1 30 237.342 3
Hi High (pH 8-9.5) 2.04 5 -46.99 3 2 1 31 237.342 3

Activity (Go SEA)

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