UCSF

ZINC31719077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.16 1.74 -15.78 3 7 0 95 312.329 3
Hi High (pH 8-9.5) 2.16 2.6 -60.73 2 7 -1 97 311.321 3
Lo Low (pH 4.5-6) 2.16 2 -52.81 4 7 1 96 313.337 3

Activity (Go SEA)

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