UCSF

ZINC37094393

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.28 6.57 -47.13 4 5 1 72 307.443 7
Hi High (pH 8-9.5) 2.47 5.13 -50.04 3 5 0 79 306.435 7

Activity (Go SEA)

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