UCSF

ZINC03830888

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 12 Yes

CAS Number: 7535-00-4

Other Names:

MFCD00267362

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) -3.35 -9.52 -43.63 7 6 1 118 180.18 1
Mid Mid (pH 6-8) -3.35 -9.72 -8.66 6 6 0 116 179.172 1

Activity (Go SEA)

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