UCSF

ZINC31439996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 19 Yes

CAS Number: 93404-95-6

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) -3.86 -0.64 -103.68 7 9 1 156 270.269 7
Mid Mid (pH 6-8) -3.86 -1.08 -75.47 6 9 0 155 269.261 7
Mid Mid (pH 6-8) -4.40 -8.14 -68.27 5 9 -1 160 268.253 7
Mid Mid (pH 6-8) -4.40 -7.62 -75.79 6 9 0 161 269.261 7

Activity (Go SEA)

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