UCSF

ZINC36192182

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 Yes

Other Names:

MFCD12143468

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) -1.11 2.15 -95.39 4 4 2 52 187.287 2
Hi High (pH 8-9.5) -1.11 1.74 -43.24 3 4 1 51 186.279 2

Activity (Go SEA)

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