UCSF

ZINC03016509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 22 Yes

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) 3.52 7.19 -18.81 1 5 0 64 311.366 4
Mid Mid (pH 6-8) 3.59 6.29 -49.14 0 5 -1 70 310.358 4

Activity (Go SEA)

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