UCSF

ZINC11820941

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 22 No

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) 1.95 0.03 -51.52 1 5 1 47 302.398 4
Lo Low (pH 4.5-6) 1.95 0.17 -95.19 2 5 2 48 303.406 4

Activity (Go SEA)

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