UCSF

ZINC37045510

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.19 4.8 -51.14 1 6 -1 91 331.732 4
Mid Mid (pH 6-8) 2.19 4.93 -95.6 0 6 -2 93 330.724 4

Activity (Go SEA)

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