UCSF

ZINC37229368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.65 7.38 -108.06 3 3 2 24 309.42 7
Hi High (pH 8-9.5) 2.65 6.19 -34.6 2 3 1 20 308.412 7
Mid Mid (pH 6-8) 2.65 5.16 -42.06 2 3 1 23 308.412 7

Activity (Go SEA)

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