UCSF

ZINC37140456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.91 2.46 -43.34 4 4 1 63 302.851 5
Hi High (pH 8-9.5) 1.91 1.42 -9.4 3 4 0 58 301.843 5
Mid Mid (pH 6-8) 1.91 3.62 -42.12 4 4 1 60 302.851 5

Activity (Go SEA)

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