UCSF

ZINC31786729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 33 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) 1.77 6.13 -85.22 2 10 1 127 492.603 7
Mid Mid (pH 6-8) 1.77 4.68 -21.9 1 10 0 126 491.595 7
Mid Mid (pH 6-8) 2.22 5.91 -53.04 1 10 0 130 491.595 7
Mid Mid (pH 6-8) 1.76 6.69 -65.47 2 10 1 127 492.603 7

Activity (Go SEA)

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