UCSF

ZINC34852518

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 21 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) 3.76 9.01 -36.6 1 3 1 17 291.459 7
Hi High (pH 8-9.5) 3.76 6.75 -4.45 0 3 0 16 290.451 7
Mid Mid (pH 6-8) 3.76 9.13 -35.01 1 3 1 17 291.459 7

Activity (Go SEA)

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