UCSF

ZINC31899441

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 27 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) 4.04 14.08 -54.51 1 4 1 39 382.553 6
Hi High (pH 8-9.5) 4.04 11.64 -13.21 0 4 0 38 381.545 6

Activity (Go SEA)

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