UCSF

ZINC50797401

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2010 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) 2.95 8.76 -42.05 2 5 1 40 373.565 6
Mid Mid (pH 6-8) 2.95 8.95 -42.15 2 5 1 40 373.565 6
Mid Mid (pH 6-8) 2.95 11.17 -108.43 3 5 2 41 374.573 6

Activity (Go SEA)

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