UCSF

ZINC36779986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 3.11 10.32 -53.58 0 4 -1 58 251.265 2
Lo Low (pH 4.5-6) 3.11 10.8 -55.18 1 4 0 59 252.273 2

Activity (Go SEA)

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