UCSF

ZINC38416310

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 13 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) 1.65 4.16 -4.21 2 3 0 52 185.267 6
Mid Mid (pH 6-8) 1.65 4.5 -42.91 3 3 1 54 186.275 6

Activity (Go SEA)

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