UCSF

ZINC19731998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 19 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) 2.00 5.03 -35.7 3 4 1 43 264.393 6
Hi High (pH 8-9.5) 2.00 2.72 -4.67 2 4 0 42 263.385 6
Mid Mid (pH 6-8) 2.00 5.03 -38.85 3 4 1 43 264.393 6

Activity (Go SEA)

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