UCSF

ZINC36124613

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 2.80 7.81 -42.11 1 4 1 28 310.506 5
Mid Mid (pH 6-8) 2.80 9.88 -107.18 2 4 2 29 311.514 5
Mid Mid (pH 6-8) 2.80 7.42 -41.65 1 4 1 28 310.506 5

Activity (Go SEA)

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