UCSF

ZINC44850083

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) 0.12 4.03 -39.29 4 4 1 60 256.395 4
Hi High (pH 8-9.5) 0.31 3.15 -43.95 3 4 0 66 255.387 4

Activity (Go SEA)

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