UCSF

ZINC59700330

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 22 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) 3.19 6.7 -45.8 3 3 1 46 304.385 7
Hi High (pH 8-9.5) 3.19 5.52 -7.15 2 3 0 41 303.377 7

Activity (Go SEA)

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