UCSF

ZINC31961498

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 1.21 1.96 -94.84 7 6 2 98 307.442 4
Hi High (pH 8-9.5) 1.21 1.56 -45.64 6 6 1 97 306.434 4
Mid Mid (pH 6-8) 1.21 2.41 -160.78 8 6 3 100 308.45 4

Activity (Go SEA)

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