UCSF

ZINC18148673

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 27 No

Download: MOL2 SDF SMILES Flexibase

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) 4.53 5.35 -14.57 3 7 0 100 429.274 6
Hi High (pH 8-9.5) 4.53 6.05 -53.74 2 7 -1 102 428.266 6
Mid Mid (pH 6-8) 4.53 7.13 -19.25 3 7 0 104 429.274 6

Activity (Go SEA)

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