UCSF

ZINC39870058

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 No

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) 4.26 9.12 -78.6 1 7 -1 101 397.432 6
Mid Mid (pH 6-8) 4.26 8.4 -127.34 0 7 -2 103 396.424 6

Activity (Go SEA)

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