UCSF

ZINC36720013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 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) 4.15 5.98 -5.59 2 3 0 45 334 2
Hi High (pH 8-9.5) 4.15 5.52 -31.42 1 3 -1 43 332.992 2

Activity (Go SEA)

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