UCSF

ZINC41160640

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) -0.08 2.1 -53.93 3 5 1 78 272.394 8
Hi High (pH 8-9.5) -0.08 1.71 -11.43 2 5 0 76 271.386 8
Lo Low (pH 4.5-6) -0.08 2.56 -96.14 4 5 2 79 273.402 8

Activity (Go SEA)

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