UCSF

ZINC31531289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 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) 4.17 10.37 -41.81 2 3 1 34 362.291 6
Hi High (pH 8-9.5) 4.17 8.24 -7.62 1 3 0 32 361.283 6

Activity (Go SEA)

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