UCSF

ZINC06752979

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 30 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) 3.83 7.24 -13.6 2 7 0 88 407.47 7
Hi High (pH 8-9.5) 3.81 7.81 -46.79 0 7 -1 87 406.462 7
Hi High (pH 8-9.5) 3.81 7.59 -59.54 0 7 -1 87 406.462 7
Hi High (pH 8-9.5) 3.83 8.26 -45.14 1 7 -1 91 406.462 7
Mid Mid (pH 6-8) 3.83 8 -53.26 1 7 -1 91 406.462 7

Activity (Go SEA)

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