UCSF

ZINC36986758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 13 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) 2.10 5.24 -105.97 4 2 2 32 188.359 8
Hi High (pH 8-9.5) 2.10 4.85 -29.29 3 2 1 30 187.351 8
Mid Mid (pH 6-8) 2.10 3.63 -43.83 3 2 1 31 187.351 8

Activity (Go SEA)

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