UCSF

ZINC36732304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 1.17 6.48 -75.11 3 7 1 103 282.32 7
Hi High (pH 8-9.5) 1.17 6.08 -21.17 2 7 0 101 281.312 7

Activity (Go SEA)

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