UCSF

ZINC36205659

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) 0.42 1.71 -52.75 4 4 1 64 222.312 3
Hi High (pH 8-9.5) 0.42 1.36 -7.2 3 4 0 62 221.304 3
Mid Mid (pH 6-8) 0.42 2.19 -105.1 5 4 2 65 223.32 3

Activity (Go SEA)

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