UCSF

ZINC21811207

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.26 2.5 -51.2 2 6 -1 102 362.156 4
Mid Mid (pH 6-8) 2.26 2.57 -97.53 1 6 -2 104 361.148 4

Activity (Go SEA)

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